N-[2-[2-[(3,4-dichlorophenyl)methylamino]-7-oxidanylidene-6-thiophen-2-yl-pteridin-8-yl]ethyl]ethanamide

Systemtic Name: N-[2-[2-[(3,4-dichlorophenyl)methylamino]-7-oxidanylidene-6-thiophen-2-yl-pteridin-8-yl]ethyl]ethanamide Openeye Name: N-[2-[2-[(3,4-dichlorophenyl)methylamino]-7-oxo-6-(2-thienyl)pteridin-8-yl]ethyl]acetamide CAS Name: N-[2-[2-[(3,4-dichlorophenyl)methylamino]-7-oxo-6-thiophen-2-yl-8-pteridinyl]ethyl]acetamide IUPAC Name: N-[2-[2-[(3,4-dichlorophenyl)methylamino]-7-oxo-6-thiophen-2-ylpteridin-8-yl]ethyl]acetamide Traditional Name: N-[2-[2-[(3,4-dichlorobenzyl)amino]-7-keto-6-(2-thienyl)pteridin-8-yl]ethyl]acetamide Formula: C21H18Cl2N6O2S MolecularWeight: 489.37762

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCN1C2=NC(=NC=C2N=C(C1=O)C3=CC=CS3)NCC4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

CC(=O)NCCN1C2=NC(=NC=C2N=C(C1=O)C3=CC=CS3)NCC4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C21H18Cl2N6O2S/c1-12(30)24-6-7-29-19-16(27-18(20(29)31)17-3-2-8-32-17)11-26-21(28-19)25-10-13-4-5-14(22)15(23)9-13/h2-5,8-9,11H,6-7,10H2,1H3,(H,24,30)(H,25,26,28)